Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 13/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.62 |
| ▸ | HPGD | P15428 | 8/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.59 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | CASP1 | P29466 | 2/20 | 0.55 |
| ▸ | CASP7 | P55210 | 2/20 | 0.55 |
| ▸ | GLA | P06280 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.55 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | ALPG | P10696 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Metesculetol SCHEMBL29649664 | 0.95 | KDM4E (0.62) | KDM4EALDH1A1HPGDHSD17B10MCL1 | |
| Metesculetol SCHEMBL1053452 | 0.95 | KDM4E (0.62) | KDM4EALDH1A1HPGDHSD17B10MCL1 | |
| SCHEMBL31293440 | 0.87 | KDM4E (0.56) | KDM4EALDH1A1HPGDHSD17B10MCL1 | |
| SCHEMBL8029409 | 0.81 | MAOB (0.72) | KDM4EALDH1A1HPGDHSD17B10MCL1 | |
| SCHEMBL8807762 | 0.80 | KDM4E (0.70) | KDM4EALDH1A1HPGDHSD17B10MCL1 | |
| SCHEMBL3724696 | 0.78 | KDM4E (0.78) | KDM4EALDH1A1HPGDHSD17B10MCL1 | |
| SCHEMBL29881770 | 0.77 | ALDH1A1 (0.80) | KDM4EALDH1A1HPGDHSD17B10GLA | |
| SCHEMBL4263170 | 0.77 | KDM4E (0.68) | KDM4EALDH1A1HPGDHSD17B10MCL1 | |
| SCHEMBL2803955 | 0.77 | ALDH1A1 (0.80) | KDM4EALDH1A1HPGDHSD17B10GLA | |
| SCHEMBL6269572 | 0.76 | KDM4E (0.59) | KDM4EALDH1A1HPGDHSD17B10MCL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0534511-A1 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1993-03-31 | — | — | EP | disclosed |